N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide

C11H14N2O2S — CID 63237168

IUPACN-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1ccsc1
InChIInChI=1S/C11H14N2O2S/c1-15-7-6-13(5-2-4-12)11(14)10-3-8-16-9-10/h3,8-9H,2,5-7H2,1H3
InChIKeyURWCCONJMCOCSW-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.75
Rot. Bonds6

About N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide

N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide (PubChem CID 63237168) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide
PubChem CID63237168
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1ccsc1
InChIInChI=1S/C11H14N2O2S/c1-15-7-6-13(5-2-4-12)11(14)10-3-8-16-9-10/h3,8-9H,2,5-7H2,1H3
InChIKeyURWCCONJMCOCSW-UHFFFAOYSA-N
XLogP1.75
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 52906834
N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 63978805
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methoxyethyl)benzamide
CID 107075274
3-bromo-N-(2-cyanoethyl)-4-fluoro-N-(2-methoxyethyl)benzamide
CID 71869269
4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzamide
CID 63237307
5-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 79684439
3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 63799883
3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)benzamide
CID 63286904
N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-(methylamino)pyridine-3-carboxamide
CID 63286998
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide
CID 63286185
N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-methylfuran-2-carboxamide
CID 55169420
N-(2-cyanoethyl)-3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 63797540

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide (CID 63237168) is N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide is COCCN(CCC#N)C(=O)c1ccsc1.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide?
The InChIKey is URWCCONJMCOCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-15-7-6-13(5-2-4-12)11(14)10-3-8-16-9-10/h3,8-9H,2,5-7H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide?
N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide has a molecular weight of 238.31 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide is sourced from PubChem (CID 63237168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).